3-[2-[[4-[5-(2-azanylpyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 3-[2-[[4-[5-(2-azanylpyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide Openeye Name: 3-[2-[[4-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide CAS Name: 3-[2-[[4-[5-(2-amino-4-pyridinyl)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-4-methyl-N-phenyl-1-piperazinecarboxamide IUPAC Name: 3-[2-[[4-[5-(2-aminopyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenylpiperazine-1-carboxamide Traditional Name: 3-[2-[[4-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide Formula: C30H32N10O MolecularWeight: 548.64148

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1CCNC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC=C5)N)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1CCNC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC=C5)N)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C30H32N10O/c1-38-15-16-39(30(41)36-23-5-3-2-4-6-23)19-24(38)10-13-33-29-34-14-11-28(37-29)40-20-35-25-17-21(7-8-26(25)40)22-9-12-32-27(31)18-22/h2-9,11-12,14,17-18,20,24H,10,13,15-16,19H2,1H3,(H2,31,32)(H,36,41)(H,33,34,37)